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Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques
dc.creator | Lukić, Vera | |
dc.creator | Micić, Ružica | |
dc.creator | Arsić, Biljana | |
dc.creator | Mitić, Milan | |
dc.creator | Jovanović, Miloš | |
dc.creator | Pavlović, Aleksandra | |
dc.date.accessioned | 2022-02-03T09:06:08Z | |
dc.date.available | 2022-02-03T09:06:08Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 2391-5420 | |
dc.identifier.uri | https://farfar.pharmacy.bg.ac.rs/handle/123456789/4050 | |
dc.description.abstract | The samples of plant material suspected to contain new psychoactive substances are very often the subject of chemical-toxicological analyses. Gas chromatography-mass spectrometry (MS), liquid chromatography-quadrupole time-of-flight-MS, and liquid chromatography-tandem MS were applied with the aim to identify synthetic cannabinoid, methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate (MMB-CHMICA) without the analytical standard, which is very often the case when a new drug arrives. The structure of compound was also confirmed by one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy and conformational analysis. After identification, methanolic extract of plant material containing MMB-CHMICA was successfully used for developing a multiple reaction monitoring method on liquid chromatography-tandem MS instrument. The optimization procedure is shown in detail. The complete fragmentation pattern and also the optimization of the extraction procedure of MMB-CHMICA from plant material were shown. The obtained data are useful for forensic, toxicological, and clinical purposes. | |
dc.publisher | De Gruyter Open Ltd | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200123/RS// | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | Open Chemistry | |
dc.subject | high-resolution mass spectrometry | |
dc.subject | identification of NPS | |
dc.subject | MMB-CHMICA | |
dc.subject | MRM optimization | |
dc.subject | synthetic cannabinoids | |
dc.title | Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques | |
dc.type | article | |
dc.rights.license | BY | |
dc.citation.volume | 19 | |
dc.citation.issue | 1 | |
dc.citation.spage | 1259 | |
dc.citation.epage | 1273 | |
dc.citation.rank | M23 | |
dc.identifier.wos | 000736839200001 | |
dc.identifier.doi | 10.1515/chem-2021-0113 | |
dc.identifier.scopus | 2-s2.0-85123318672 | |
dc.identifier.fulltext | http://farfar.pharmacy.bg.ac.rs/bitstream/id/9502/Identification_of_synthetic_pub_2021.pdf | |
dc.type.version | publishedVersion |